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BDBM50144600 CHEMBL3759190

SMILES: COc1cc2c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)ncnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=VDVPXYDBILKOEA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50144600   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50144600
PNG
(CHEMBL3759190)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H33ClN6O3/c1-36-13-15-37(16-14-36)12-5-17-40-28-19-26-24(18-27(28)39-2)29(33-20-32-26)34-21-8-10-22(11-9-21)35-30(38)23-6-3-4-7-25(23)31/h3-4,6-11,18-20H,5,12-17H2,1-2H3,(H,35,38)(H,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.71E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR-2 preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ...


Eur J Med Chem 109: 371-9 (2016)


BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50144600
PNG
(CHEMBL3759190)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H33ClN6O3/c1-36-13-15-37(16-14-36)12-5-17-40-28-19-26-24(18-27(28)39-2)29(33-20-32-26)34-21-8-10-22(11-9-21)35-30(38)23-6-3-4-7-25(23)31/h3-4,6-11,18-20H,5,12-17H2,1-2H3,(H,35,38)(H,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ass...


Eur J Med Chem 109: 371-9 (2016)


BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair